1,3-Dithiolo[4,5-b]furan, tetrahydro-3a-methyl-

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Basic information

CAS: 67411-25-0
Standard SMILES: CC12OCCC1SCS2
InChIKey: NMEFNVFVAKLNKO-UHFFFAOYSA-N
Molecular formula: C6H10OS2
Average molar mass: 162.3 g/mol
Monoisotopic mass: 162.01730729

Names & identifiers

Preferred name: 1,3-Dithiolo[4,5-b]furan, tetrahydro-3a-methyl-
IUPAC: 3a-methyl-6,6a-dihydro-5H-[1,3]dithiolo[4,5-b]furan

Names & synonyms

1,3-Dithiolo[4,5-b]furan, tetrahydro-3a-methyl-1-methylbicyclo[3.3.0]-2,4-dithia-8-oxaoctane67411-25-0SCHEMBL29655337DTXSID40335585NMEFNVFVAKLNKO-UHFFFAOYSA-N3a-Methyltetrahydro-2H-[1,3]dithiolo[4,5-b]furan

Database identifiers

CAS: 67411-25-0
PubChem CID: 526183
DTXSID: DTXSID40335585
Nikkaji: J144.587A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 59.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 128

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Compound notes

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